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DL-3-Aminoisobutyric Acid Monohydrate
Acta Crystallographica Section C: Structural Chemistry (1998)
  • Allison J. Amonette, Georgia Southern University
  • Roger E. Gerkin, Ohio State University - Main Campus
Abstract
The title acid, 3-amino-2-methylpropanoic acid monohydrate, C4H9NO2.H2O, crystallized in the centrosymmetric space group Pbca in the zwitterionic form. The three H atoms on N, which are involved in hydrogen bonding, are ordered. The three intermolecular N-HO hydrogen bonds have NO distances ranging from 2.758 (2) to 2.809 (2) Å and N-HO angles ranging from 149 (2) to 171 (1)°. The two intermolecular O- HO hydrogen bonds have OO distances 2.739 (2) and 2.755 (2) Å and O- HO angles 170 (2) and 175 (2)°. Each acid molecule and its associated water molecule are directly hydrogen-bonded to five acid molecules and two water molecules; the structure comprises two subsets of molecules which are not cross-linked by these hydrogen bonds. Through basic second-level graphs, approximately two-thirds of the hydrogen-bonding patterns are finite and one-third are chains; there is a single ring pattern, which occurs about a center of symmetry.

Publication Date
1998
DOI
10.1107/S0108270198001310
Publisher Statement
Citation Information
Allison J. Amonette and Roger E. Gerkin. "DL-3-Aminoisobutyric Acid Monohydrate" Acta Crystallographica Section C: Structural Chemistry Vol. 54 (1998) p. 972 - 974 ISSN: 2053-2296
Available at: http://works.bepress.com/allison_amonette/39/